4-(4-methylphenyl)-5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-methylphenyl)-5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4H-1,2,4-triazole-3-thiol
4-(4-methylphenyl)-5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0056 |
| Compound Name: | 4-(4-methylphenyl)-5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C21 H24 N8 O S2 |
| Smiles: | Cc1ccc(cc1)n1c(CSc2nnc(c3ccn(C)n3)n2CC2CCCO2)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9259 |
| logD: | 0.6666 |
| logSw: | -2.2117 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.783 |
| InChI Key: | MNQZYAMJWGIVJX-MRXNPFEDSA-N |